Information card for entry 4127528

Structure parameters

• Formula: C48 H46 Co1.66 F12 N8 Ni2.34 O14 P2
• Calculated formula: C48 H46 Co1.64 F12 N8 Ni2.36 O14 P2
• Title of publication: Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.
• Authors of publication: Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8846 - 8857
• a: 12.2745 ± 0.0003 Å
• b: 13.3722 ± 0.0004 Å
• c: 19.5727 ± 0.0004 Å
• α: 88.324 ± 0.002°
• β: 73.699 ± 0.002°
• γ: 64.454 ± 0.003°
• Cell volume: 2766.35 ± 0.15 ų
• Cell temperature: 183 ± 0.1 K
• Ambient diffraction temperature: 183 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No